EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	N1H19E7HTA
EPA CompTox	DTXSID9026633

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

N1H19E7HTA

EPA CompTox

DTXSID9026633


InChI Key	SVYKKECYCPFKGB-UHFFFAOYSA-N
Smiles	CN(C)C1CCCCC1
InChI	InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3

InChI Key

SVYKKECYCPFKGB-UHFFFAOYSA-N

Smiles

CN(C)C1CCCCC1

InChI

InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3

Property Name	Value
Molecular Formula	C8H17N1
Molecular Weight	127.14
AlogP	1.88
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	3.24
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C8H17N1

Molecular Weight

127.14

AlogP

1.88

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

3.24

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	98-94-2
NORMAN SUSDAT
FDA SRS	N1H19E7HTA
PubChem	7415
ChemSpider	7137.0

Resources

Reference

CAS NUMBER

98-94-2

NORMAN SUSDAT

FDA SRS

N1H19E7HTA

PubChem

7415

ChemSpider

7137.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N,N-DIMETHYLCYCLOHEXYLAMINE

Structure

Physicochemical Descriptors

Cross References